2-iodanyl-4-(methylsulfonylmethyl)aniline; 5-(methylsulfonylmethyl)-1H-indole

Systemtic Name: 2-iodanyl-4-(methylsulfonylmethyl)aniline; 5-(methylsulfonylmethyl)-1H-indole Openeye Name: 2-iodo-4-(methylsulfonylmethyl)aniline; 5-(methylsulfonylmethyl)-1H-indole CAS Name: 2-iodo-4-(methylsulfonylmethyl)aniline; 5-(methylsulfonylmethyl)-1H-indole IUPAC Name: 2-iodo-4-(methylsulfonylmethyl)aniline; 5-(methylsulfonylmethyl)-1H-indole Traditional Name: [2-iodo-4-(mesylmethyl)phenyl]amine; 5-(mesylmethyl)-1H-indole Formula: C18H21IN2O4S2 MolecularWeight: 520.40481

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC2=C(C=C1)NC=C2.CS(=O)(=O)CC1=CC(=C(C=C1)N)I

Isomeric SMILES

CS(=O)(=O)CC1=CC2=C(C=C1)NC=C2.CS(=O)(=O)CC1=CC(=C(C=C1)N)I

InChI

InChI=1S/C10H11NO2S.C8H10INO2S/c1-14(12,13)7-8-2-3-10-9(6-8)4-5-11-10;1-13(11,12)5-6-2-3-8(10)7(9)4-6/h2-6,11H,7H2,1H3;2-4H,5,10H2,1H3